Acetone → 6-(3-Chloro-phenyl)-2,2,4,4-tetramethyl-1,4-dihydro-2H-benzo[d][1,3]oxazine

Reaction equation

[CH3:19][C:20]([CH3:21])=[O:22].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[NH2:1][c:2]1[c:3]([C:15]([OH:16])([CH3:17])[CH3:18])[cH:4][c:5](-[c:8]2[cH:9][c:10]([Cl:14])[cH:11][cH:12][cH:13]2)[cH:6][cH:7]1.[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[NH:1]1[c:2]2[c:3]([cH:4][c:5](-[c:8]3[cH:9][c:10]([Cl:14])[cH:11][cH:12][cH:13]3)[cH:6][cH:7]2)[C:15]([CH3:17])([CH3:18])[O:16][C:20]1([CH3:19])[CH3:21]

Participants

Reactant 4

HCID 180Acetone

HCID 1140Toluene

HCID 6101p-Toluenesulfonic acid

HCID 15908132(4-Amino-3'-chloro-biphenyl-3-yl)-dimethyl-methanol

Product 1

HCID 98519266-(3-Chloro-phenyl)-2,2,4,4-tetramethyl-1,4-dihydro-2H-benzo[d][1,3]oxazine

Sources & evidence

ORD record: ord-0bd8be75bf9b45fe9e85605a34dda377
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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